Wrong stereochemistry when loading cdxml reaction #2739
Labels
Export to SVG/PNG
Bucket: Bugs related to SVG/PNG export
Priority: Medium
Severity: High
High level visibility to the user
Stereochemistry
Bucket: Stereochemistry related issues
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Summary
When creating an .svg file with indigo-depict and wrong_stereochemistry.cdr, two identical product molecules are shown in the reaction, instead of two different isomers. The second product should have an upwards wedge, not a downwards dash.
Steps to Reproduce
Actual behavior
Indigo is reusing the stereochemistry data from the first product with the second product.
Expected behavior
Indigo should clear the stereochemistry data from the first product, so the correct stereochemistry can be used in the second product.
Environment details:
Attachments
wrong_stereochemistry.txt
Additional context
In MoleculeStereocenters::clear(), both the _stereocenters and _atropocenters maps need to be cleared
Comment from QA:
Reproduced on Indigo Version 1.28.0-rc.3.0-gd5bcc27cb-wasm32-wasm-clang-19.0.0
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